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Institute of Solid State Physics

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Solid state physics is the study of how atoms arrange themselves into solids and what properties these solids have. By examining the arrangement of the atoms and considering how electrons move among the atoms, it is possible to understand many macroscopic properties of materials such as their elasticity, electrical conductivity, or optical properties. The Institute of Solid State Physics focuses on organic, molecular, and nanostructured materials. Often detailed studies of the behavior of these materials at surfaces are made. Our research provides the foundation for important advances in technology such as energy efficient lighting, solar cells, electronic books, environmental sensors, and medical sensors.


Paper Strength


Doping molecular wires


Computational Material Science


Inkjet printed polymer light-emitting diodes

 

Solid State Seminar - Winter 2018
Thursday 20 September 2018      PH01150

15:00 - 16:15

Predicting the dynamics and spectroscopic signatures of controlled chemistry at functional metal-organic interfaces
Reinhard J. Maurer, University of Warwick

Abstract: A fundamental understanding of molecular structure and chemical reactivity at complex interfaces is key to many technological applications ranging from molecular electronics to functionalized surfaces and light- and electron-enhanced heterogeneous catalysis. Predictive ab-initio electronic structure methods based on Density Functional Theory enable to gain such an understanding through an accurate computational description of interface structure, spectroscopy, and reactivity. On prototypical example systems such as the photo-induced isomerization of metal-adsorbed molecules, I will explain the computational techniques and methodological underpinnings that give rise to a robust computational characterization of interfaces and an accurate prediction of surface spectroscopy measurements. I will furthermore present our recent efforts to address the large intrinsic time and length scales of gas-surface dynamics with more efficient approximate methods based on Density Functional Theory, as well as our efforts to directly simulate electron- and light-driven chemical transformations at metal surfaces using coupled electron-nuclear dynamics simulation methods.